A computational study of the optoelectronic and thermoelectric properties of HfIrX (X = As, Sb and Bi) in the cubic LiAlSi-type structure

Topological phase transition in half-Heusler compounds HfIrX (X = As, Sb, Bi)

(2016) Guangtao Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Structural stability, electronic structure, and novel transport properties with high thermoelectric performances of ZrIrX (X $$=$$ = As, Bi, and Sb)

(2016) Yassine Benallou et al.   Journal of Computational Electronics

Predicting high thermoelectric performance of ABX ternary compounds NaMgX (X = P, Sb, As) with weak electron–phonon coupling and strong bonding anharmonicity

(2016) A. J. Hong et al.   Journal of Materials Chemistry C

Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds

(2015) Romain Gautier et al.   Nature Chemistry

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Comparison of optical properties between Wurtzite and zinc-blende Ga0.75Al0.25N

(2013) Mingzhu Yang et al.   OPTIK

Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes

(2013) Debnarayan Jana et al.   PROGRESS IN MATERIALS SCIENCE

Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors

(2012) Mal-Soon Lee et al.   PHYSICAL REVIEW B

Half-Heusler compounds: novel materials for energy and spintronic applications

(2012) F Casper et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds

(2011) Mal-Soon Lee et al.   PHYSICAL REVIEW B

Comparativeab initiostudy of half-Heusler compounds for optoelectronic applications

(2010) Thomas Gruhn   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties

(2008) Jiong Yang et al.   ADVANCED FUNCTIONAL MATERIALS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS